R. Berardi et al., CHIRAL INDUCTION IN NEMATICS - A COMPUTER-SIMULATION STUDY, Journal of the Chemical Society. Faraday transactions, 94(9), 1998, pp. 1229-1234
Citations number
21
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
We have studied chiral induction in a nematic in contact with a chiral
surface using computer simulations. Nematic and surface particles hav
e been modelled using the Gay-Berne (GB) potential considering, additi
onally, a short-range chiral term for the inducing surface. We find th
at, close to the chiral surface, a twist of the local director with re
spect to the surface molecules is induced, even in the isotropic phase
. In the nematic phase, the twist is maintained through orientational
correlation and, even well inside, the sample molecules are effectivel
y twisted with respect to the surface director. This process can highl
ight the basic mechanism of the chiral induction of a cholesteric, i.e
., chiral nematic, phase. A detailed description of the molecular orga
nization at various distances from the inducing surface is presented,
using scalar and pseudoscalar orientational correlation functions.